(1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C15H16ClNO — CID 6979343

IUPAC(1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC[C@@]1(C(=O)Nc2ccc(Cl)cc2)C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C15H16ClNO/c1-15(9-10-2-3-11(15)8-10)14(18)17-13-6-4-12(16)5-7-13/h2-7,10-11H,8-9H2,1H3,(H,17,18)/t10-,11-,15+/m0/s1
InChIKeyONYINCTZMGRKTF-ZIBATOQPSA-N
MW261.75 g/mol
LogP3.88
Rot. Bonds2

About (1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 6979343) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID6979343
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC[C@@]1(C(=O)Nc2ccc(Cl)cc2)C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C15H16ClNO/c1-15(9-10-2-3-11(15)8-10)14(18)17-13-6-4-12(16)5-7-13/h2-7,10-11H,8-9H2,1H3,(H,17,18)/t10-,11-,15+/m0/s1
InChIKeyONYINCTZMGRKTF-ZIBATOQPSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 3706751
(1R,2R,4R)-N-(4-methoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 11871911
(1R,2R,4S)-N-(4-methoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98122213
(1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 900167
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]phenyl]-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 21369046
(15R)-N-(4-chlorophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1101014
(1S,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11861323
(1R,2R,4S)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98892495
N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 70611798
(5S,7R)-3-bromo-N-(4-chlorophenyl)adamantane-1-carboxamide
CID 8762451
N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 21369238
N-(4-chlorophenyl)-4-propylpiperidine-4-carboxamide
CID 63127290

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 6979343) is (1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is C[C@@]1(C(=O)Nc2ccc(Cl)cc2)C[C@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is ONYINCTZMGRKTF-ZIBATOQPSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-15(9-10-2-3-11(15)8-10)14(18)17-13-6-4-12(16)5-7-13/h2-7,10-11H,8-9H2,1H3,(H,17,18)/t10-,11-,15+/m0/s1.
What are the key properties of (1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 261.75 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-(4-chlorophenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 6979343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).